5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C14H9BrIN3O2 — CID 34749980

IUPAC5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1I
InChIInChI=1S/C14H9BrIN3O2/c15-7-1-3-10(16)9(5-7)13(20)17-8-2-4-11-12(6-8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21)
InChIKeyDIZQLFZYUOFMGK-UHFFFAOYSA-N
MW458.05 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 34749980) has the molecular formula C14H9BrIN3O2 and a molecular weight of 458.05 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID34749980
Molecular FormulaC14H9BrIN3O2
Molecular Weight458.05 g/mol
Exact Mass456.89
IUPAC Name5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1I
InChIInChI=1S/C14H9BrIN3O2/c15-7-1-3-10(16)9(5-7)13(20)17-8-2-4-11-12(6-8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21)
InChIKeyDIZQLFZYUOFMGK-UHFFFAOYSA-N
XLogP3.48
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.05
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3,4-difluorophenyl)-2-iodobenzamide
CID 34845392
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-bromo-N-(3-hydroxyphenyl)-2-iodobenzamide
CID 78783688
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 70877699
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 34749980) is 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is DIZQLFZYUOFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrIN3O2/c15-7-1-3-10(16)9(5-7)13(20)17-8-2-4-11-12(6-8)19-14(21)18-11/h1-6H,(H,17,20)(H2,18,19,21).
What are the key properties of 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 458.05 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 34749980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).